111 #252 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match
Model 1 Model 2 Model 3
ACE2_HUMAN angiotensin converting enzyme 2 -6.60 N/A N/A 29.90% CHEMBL254900
GP160_HIV1 Envelope glycoprotein gp160 -5.67 -5.32 -5.06 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.36 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -5.12 -4.70 -4.55 27.22% CHEMBL3125897
HA_A-H10N7 Hemagglutinin -4.84 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -4.65 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -4.97 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -4.94 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.13 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.57 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.14 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.64 -4.72 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.07 -5.15 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.75 -5.35 -4.36 N/A N/A
HA_A-H3N8 Hemagglutinin -4.77 -4.77 -4.58 N/A N/A
HA_A-H5N1 Hemagglutinin -5.40 -5.66 -5.31 N/A N/A
HA_A-H5N3 Hemagglutinin -5.13 -5.17 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -4.65 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.01 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -4.87 -4.69 -4.81 N/A N/A
HA_A-H7N7 Hemagglutinin -4.78 -5.38 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.72 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.56 -5.16 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -4.25 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.58 -5.16 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.55 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -4.95 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.19 -4.26 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -6.49 -6.67 -6.45 N/A N/A
MD_MERs Replicase polyprotein 1a -5.69 -6.43 N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.20 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.68 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.45 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -6.74 -6.51 -6.56 N/A N/A
NA_A-H11N9 Neuraminidase -5.27 -6.25 -6.42 N/A N/A
NA_A-H12N5 Neuraminidase -6.13 -6.59 -6.33 N/A N/A
NA_A-H13N9 Neuraminidase -5.59 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.15 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -4.80 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.43 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.43 -6.55 -6.04 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.04 -6.22 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.26 -6.71 -6.21 N/A N/A
NA_A-H5N1 Neuraminidase -6.59 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.45 -6.03 -6.20 N/A N/A
NA_INFB Neuraminidase -6.23 -6.56 N/A 63.37% CHEMBL183817
NP_A-H1N1 Nucleoprotein -4.48 -5.01 -5.36 N/A N/A
NP_A-H5N1 Nucleoprotein -5.38 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.15 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -5.13 -5.14 -5.32 9.38% CHEMBL3233481
NP_INFB Nucleoprotein -4.45 N/A N/A N/A N/A
NP_INFD NP -4.14 N/A N/A N/A N/A
NP_SARS Nucleoprotein -5.86 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.53 -5.27 -5.67 38.68% CHEMBL296588
NS3_HCV1B Genome polyprotein -5.64 -5.37 -5.17 27.32% CHEMBL3954962
NS3_HCV3A Genome polyprotein -5.78 -5.73 -5.86 N/A N/A
NS5B_HCV1A Genome polyprotein -6.25 -5.50 -6.19 29.77% CHEMBL163917
NS5B_HCV1B Genome polyprotein -5.32 -5.54 -5.43 18.91% CHEMBL3645211
NS5B_HCV2A Genome polyprotein -6.71 -6.90 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.12 N/A N/A 19.62% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -4.91 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -4.03 -4.22 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.61 N/A N/A 19.62% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -6.08 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.63 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -4.78 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -6.21 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -4.80 -4.79 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -5.48 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -5.40 -5.49 -5.76 N/A N/A
PA_A-H5N1 Polymerase acidic protein -6.17 -5.96 -5.78 N/A N/A
PA_INFA Polymerase acidic protein -5.42 -5.95 -5.57 18.12% CHEMBL278402
PA_INFB Polymerase acidic protein -5.52 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -5.20 -5.31 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -5.42 -5.15 -4.84 N/A N/A
PB2_INFB Polymerase basic protein 2 -4.96 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -5.16 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -5.63 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -6.78 -6.54 -6.08 30.20% CHEMBL213054
PLP_SARS2 papain-like protease -4.94 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -5.06 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -5.45 -5.14 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -3.79 -5.90 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -4.97 -4.93 -4.99 28.81% CHEMBL450294
PR_HIV2 Gag-Pol polyprotein -5.23 -4.78 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.60 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -4.95 -5.54 -5.48 N/A N/A
PR_IBV Replicase polyprotein 1a -5.04 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -5.78 -5.49 N/A N/A N/A
PR_PEDV 3C-like proteinase -5.43 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.28 -5.76 -5.11 19.62% CHEMBL2441741
PR_SARS2 3C-like protease -5.73 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -5.47 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.33 N/A N/A 16.38% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -6.46 -6.63 -6.99 24.65% CHEMBL4225614
SPIKE_HCoV-229E Spike glycoprotein -4.05 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.54 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.65 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -5.82 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -4.58 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.37 -5.38 -4.45 N/A N/A
SPIKE_MHV Spike glycoprotein -5.38 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -4.80 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.82 -5.34 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.72 -4.37 -5.15 N/A N/A